[2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-dibenzothiophen-4-yl-diphenylsilane;(4-carbazol-9-yl-1,3,5-triazin-2-yl)-dibenzofuran-4-yl-diphenylsilane

C91H60N8OSSi2 — CID 161463718

About [2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-dibenzothiophen-4-yl-diphenylsilane;(4-carbazol-9-yl-1,3,5-triazin-2-yl)-dibenzofuran-4-yl-diphenylsilane

[2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-dibenzothiophen-4-yl-diphenylsilane;(4-carbazol-9-yl-1,3,5-triazin-2-yl)-dibenzofuran-4-yl-diphenylsilane (PubChem CID 161463718) has the molecular formula C91H60N8OSSi2 and a molecular weight of 1369.78 g/mol. Its IUPAC name is [2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-dibenzothiophen-4-yl-diphenylsilane;(4-carbazol-9-yl-1,3,5-triazin-2-yl)-dibenzofuran-4-yl-diphenylsilane.

Molecular Properties

• Compound Name: [2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-dibenzothiophen-4-yl-diphenylsilane;(4-carbazol-9-yl-1,3,5-triazin-2-yl)-dibenzofuran-4-yl-diphenylsilane
• PubChem CID: 161463718
• Molecular Formula: C91H60N8OSSi2
• Molecular Weight: 1369.78 g/mol
• Exact Mass: 1368.41
• IUPAC Name: [2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-dibenzothiophen-4-yl-diphenylsilane;(4-carbazol-9-yl-1,3,5-triazin-2-yl)-dibenzofuran-4-yl-diphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccnc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)c2cccc3c2sc2ccccc23)cc1.c1ccc([Si](c2ccccc2)(c2ncnc(-n3c4ccccc4c4ccccc43)n2)c2cccc3c2oc2ccccc23)cc1
• InChI: InChI=1S/C52H34N4SSi.C39H26N4OSi/c1-3-16-36(17-4-1)58(37-18-5-2-6-19-37,49-29-15-24-42-41-23-10-14-28-48(41)57-51(42)49)50-32-33-53-52(54-50)56-46-27-13-9-22-40(46)43-34-35(30-31-47(43)56)55-44-25-11-7-20-38(44)39-21-8-12-26-45(39)55;1-3-14-27(15-4-1)45(28-16-5-2-6-17-28,36-25-13-21-32-31-20-9-12-24-35(31)44-37(32)36)39-41-26-40-38(42-39)43-33-22-10-7-18-29(33)30-19-8-11-23-34(30)43/h1-34H;1-26H
• InChIKey: WCDPGECIAUQUEN-UHFFFAOYSA-N
• XLogP: 16.66
• TPSA: 92.38 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1369.78
LogP ≤ 5	16.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-dibenzothiophen-4-yl-diphenylsilane;(4-carbazol-9-yl-1,3,5-triazin-2-yl)-dibenzofuran-4-yl-diphenylsilane?

The IUPAC name of [2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-dibenzothiophen-4-yl-diphenylsilane;(4-carbazol-9-yl-1,3,5-triazin-2-yl)-dibenzofuran-4-yl-diphenylsilane (CID 161463718) is [2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-dibenzothiophen-4-yl-diphenylsilane;(4-carbazol-9-yl-1,3,5-triazin-2-yl)-dibenzofuran-4-yl-diphenylsilane.

What is the SMILES notation for [2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-dibenzothiophen-4-yl-diphenylsilane;(4-carbazol-9-yl-1,3,5-triazin-2-yl)-dibenzofuran-4-yl-diphenylsilane?

The canonical SMILES for [2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-dibenzothiophen-4-yl-diphenylsilane;(4-carbazol-9-yl-1,3,5-triazin-2-yl)-dibenzofuran-4-yl-diphenylsilane is c1ccc([Si](c2ccccc2)(c2ccnc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)c2cccc3c2sc2ccccc23)cc1.c1ccc([Si](c2ccccc2)(c2ncnc(-n3c4ccccc4c4ccccc43)n2)c2cccc3c2oc2ccccc23)cc1.

What is the InChIKey of [2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-dibenzothiophen-4-yl-diphenylsilane;(4-carbazol-9-yl-1,3,5-triazin-2-yl)-dibenzofuran-4-yl-diphenylsilane?

The InChIKey is WCDPGECIAUQUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4SSi.C39H26N4OSi/c1-3-16-36(17-4-1)58(37-18-5-2-6-19-37,49-29-15-24-42-41-23-10-14-28-48(41)57-51(42)49)50-32-33-53-52(54-50)56-46-27-13-9-22-40(46)43-34-35(30-31-47(43)56)55-44-25-11-7-20-38(44)39-21-8-12-26-45(39)55;1-3-14-27(15-4-1)45(28-16-5-2-6-17-28,36-25-13-21-32-31-20-9-12-24-35(31)44-37(32)36)39-41-26-40-38(42-39)43-33-22-10-7-18-29(33)30-19-8-11-23-34(30)43/h1-34H;1-26H.

What are the key properties of [2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-dibenzothiophen-4-yl-diphenylsilane;(4-carbazol-9-yl-1,3,5-triazin-2-yl)-dibenzofuran-4-yl-diphenylsilane?

[2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-dibenzothiophen-4-yl-diphenylsilane;(4-carbazol-9-yl-1,3,5-triazin-2-yl)-dibenzofuran-4-yl-diphenylsilane has a molecular weight of 1369.78 g/mol, XLogP of 16.66, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-dibenzothiophen-4-yl-diphenylsilane;(4-carbazol-9-yl-1,3,5-triazin-2-yl)-dibenzofuran-4-yl-diphenylsilane is sourced from PubChem (CID 161463718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).